1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine

C15H26N2 — CID 143071759

IUPAC1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine
SMILESC=C/C=C\C(=C)N1CCN(CCCCC)CC1
InChIInChI=1S/C15H26N2/c1-4-6-8-10-16-11-13-17(14-12-16)15(3)9-7-5-2/h5,7,9H,2-4,6,8,10-14H2,1H3/b9-7-
InChIKeyIONJZGCSPKAITI-CLFYSBASSA-N
MW234.39 g/mol
LogP3.05
Rot. Bonds7

About 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine

1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine (PubChem CID 143071759) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine.

Molecular Properties

Compound Name1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine
PubChem CID143071759
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine
SMILESC=C/C=C\C(=C)N1CCN(CCCCC)CC1
InChIInChI=1S/C15H26N2/c1-4-6-8-10-16-11-13-17(14-12-16)15(3)9-7-5-2/h5,7,9H,2-4,6,8,10-14H2,1H3/b9-7-
InChIKeyIONJZGCSPKAITI-CLFYSBASSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
CID 174194797
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
1-(2-piperidin-1-ylethyl)-2H-pyridine
CID 408055
1-(4-Methylpenta-1,3-dien-2-yl)piperidine
CID 12661921
1-hexyl-2H-pyridin-3-amine
CID 17861066
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
6-methyl-1-pentyl-2H-pyridine
CID 54491275
1-Penta-2,4-dien-2-ylpiperidine
CID 57091192
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
CID 58336937
Carbanide;1-methyl-4-phenylpiperazine;yttrium
CID 58870665

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine?
The IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine (CID 143071759) is 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine.
What is the SMILES notation for 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine?
The canonical SMILES for 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine is C=C/C=C\C(=C)N1CCN(CCCCC)CC1.
What is the InChIKey of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine?
The InChIKey is IONJZGCSPKAITI-CLFYSBASSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-8-10-16-11-13-17(14-12-16)15(3)9-7-5-2/h5,7,9H,2-4,6,8,10-14H2,1H3/b9-7-.
What are the key properties of 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine?
1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine has a molecular weight of 234.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-pentylpiperazine is sourced from PubChem (CID 143071759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).